A9X
Summary
| Name: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid |
| Formula: | C16 H18 O5 Se |
| Formal charge: | 0 |
| Formula weight: | 369.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | BWQHPFYQJHFPHN-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](CC(=O)c1cc2cc(c(cc2[se]1)OC)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC(=O)c1cc2cc(c(cc2[se]1)OC)OC)C(=O)O |
